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71880-05-2 | 1-[(Benzenesulfonyl)methyl]pyridin-1-ium perchlorate
CAS No: 71880-05-2 Catalog No: AG01EX33 MDL No:
Product Description
Catalog Number:
AG01EX33
Chemical Name:
1-[(Benzenesulfonyl)methyl]pyridin-1-ium perchlorate
CAS Number:
71880-05-2
Molecular Formula:
C12H12ClNO6S
Molecular Weight:
333.7448
IUPAC Name:
1-(benzenesulfonylmethyl)pyridin-1-ium;perchlorate
InChI:
InChI=1S/C12H12NO2S.ClHO4/c14-16(15,12-7-3-1-4-8-12)11-13-9-5-2-6-10-13;2-1(3,4)5/h1-10H,11H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
CJBNCJYSLNYAJN-UHFFFAOYSA-M
SMILES:
O=S(=O)(c1ccccc1)C[n+]1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.007g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.739g/mol
Monoisotopic Mass:
333.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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